5-[(4-aminopiperidin-1-yl)methyl]-N-phenylpyrrolo[2,1-f][1,2,4]triazin-4-amine

C18H22N6 — CID 11220978

IUPAC5-[(4-aminopiperidin-1-yl)methyl]-N-phenylpyrrolo[2,1-f][1,2,4]triazin-4-amine
SMILESNC1CCN(Cc2ccn3ncnc(Nc4ccccc4)c23)CC1
InChIInChI=1S/C18H22N6/c19-15-7-9-23(10-8-15)12-14-6-11-24-17(14)18(20-13-21-24)22-16-4-2-1-3-5-16/h1-6,11,13,15H,7-10,12,19H2,(H,20,21,22)
InChIKeyJPKXJWBKGYESKN-UHFFFAOYSA-N
MW322.42 g/mol
LogP2.40
Rot. Bonds4

About 5-[(4-aminopiperidin-1-yl)methyl]-N-phenylpyrrolo[2,1-f][1,2,4]triazin-4-amine

5-[(4-aminopiperidin-1-yl)methyl]-N-phenylpyrrolo[2,1-f][1,2,4]triazin-4-amine (PubChem CID 11220978) has the molecular formula C18H22N6 and a molecular weight of 322.42 g/mol. Its IUPAC name is 5-[(4-aminopiperidin-1-yl)methyl]-N-phenylpyrrolo[2,1-f][1,2,4]triazin-4-amine.

Molecular Properties

Compound Name5-[(4-aminopiperidin-1-yl)methyl]-N-phenylpyrrolo[2,1-f][1,2,4]triazin-4-amine
PubChem CID11220978
Molecular FormulaC18H22N6
Molecular Weight322.42 g/mol
Exact Mass322.19
IUPAC Name5-[(4-aminopiperidin-1-yl)methyl]-N-phenylpyrrolo[2,1-f][1,2,4]triazin-4-amine
SMILESNC1CCN(Cc2ccn3ncnc(Nc4ccccc4)c23)CC1
InChIInChI=1S/C18H22N6/c19-15-7-9-23(10-8-15)12-14-6-11-24-17(14)18(20-13-21-24)22-16-4-2-1-3-5-16/h1-6,11,13,15H,7-10,12,19H2,(H,20,21,22)
InChIKeyJPKXJWBKGYESKN-UHFFFAOYSA-N
XLogP2.40
TPSA71.48 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.42
LogP ≤ 52.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 5-[(4-aminopiperidin-1-yl)methyl]-N-phenylpyrrolo[2,1-f][1,2,4]triazin-4-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Avapritinib
CID 118023034
Adipiplon
CID 11198924
Vactosertib
CID 54766013
N2-((1S)-1-(4-Fluorophenyl)ethyl)-4-(1-methyl-1H-pyrazol-4-yl)-N6-2-pyrazinyl-2,6-pyridinediamine
CID 46866319
Amdizalisib
CID 118981804
5-Cyclopropyl-2-(1-((2-fluorophenyl)methyl)-1H-pyrazolo(3,4-b)pyridin-3-yl)-4-pyrimidinamine
CID 9798973
N6,N6-dimethyl-N4-[1-(phenylmethyl)-5-indazolyl]pyrido[3,4-d]pyrimidine-4,6-diamine
CID 6603857
VK-19911
CID 9797240
(R)-Zinc-3573
CID 95882507
Amredobresib
CID 76072013
Pyrazolo[1,5-b]pyridazine deriv. 35
CID 6539377
N-[4-[(3S)-3-aminopiperidin-1-yl]-3-pyridinyl]-2-(2,6-difluorophenyl)imidazo[1,5-b]pyridazin-7-amine
CID 70984064

Frequently Asked Questions

What is the IUPAC name of 5-[(4-aminopiperidin-1-yl)methyl]-N-phenylpyrrolo[2,1-f][1,2,4]triazin-4-amine?
The IUPAC name of 5-[(4-aminopiperidin-1-yl)methyl]-N-phenylpyrrolo[2,1-f][1,2,4]triazin-4-amine (CID 11220978) is 5-[(4-aminopiperidin-1-yl)methyl]-N-phenylpyrrolo[2,1-f][1,2,4]triazin-4-amine.
What is the SMILES notation for 5-[(4-aminopiperidin-1-yl)methyl]-N-phenylpyrrolo[2,1-f][1,2,4]triazin-4-amine?
The canonical SMILES for 5-[(4-aminopiperidin-1-yl)methyl]-N-phenylpyrrolo[2,1-f][1,2,4]triazin-4-amine is NC1CCN(Cc2ccn3ncnc(Nc4ccccc4)c23)CC1.
What is the InChIKey of 5-[(4-aminopiperidin-1-yl)methyl]-N-phenylpyrrolo[2,1-f][1,2,4]triazin-4-amine?
The InChIKey is JPKXJWBKGYESKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N6/c19-15-7-9-23(10-8-15)12-14-6-11-24-17(14)18(20-13-21-24)22-16-4-2-1-3-5-16/h1-6,11,13,15H,7-10,12,19H2,(H,20,21,22).
What are the key properties of 5-[(4-aminopiperidin-1-yl)methyl]-N-phenylpyrrolo[2,1-f][1,2,4]triazin-4-amine?
5-[(4-aminopiperidin-1-yl)methyl]-N-phenylpyrrolo[2,1-f][1,2,4]triazin-4-amine has a molecular weight of 322.42 g/mol, XLogP of 2.40, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-aminopiperidin-1-yl)methyl]-N-phenylpyrrolo[2,1-f][1,2,4]triazin-4-amine is sourced from PubChem (CID 11220978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).